Compound registry
KIN-07 · EGFR mutant-selective — structures, computed properties and batches
Series
Status
| Structure | Compound | Series | R-groups | Formula | MW | cLogP | TPSA (Ų) | Batches | pIC50 mut | Status |
|---|---|---|---|---|---|---|---|---|---|---|
| AFN-003300 | B | R1 H · R6 H · R7 H | C14H11N3 | 221.3 | 3.37 | 37.8 | 0 | — | designed | |
| AFN-003301 | B | R1 H · R6 H · R7 OMe | C15H13N3O | 251.3 | 3.38 | 47.0 | 0 | — | designed | |
| AFN-003302 | B | R1 H · R6 H · R7 OEt | C16H15N3O | 265.3 | 3.77 | 47.0 | 0 | — | designed | |
| AFN-003303 | B | R1 H · R6 H · R7 OCH2CH2OMe | C17H17N3O2 | 295.3 | 3.40 | 56.3 | 0 | — | designed | |
| AFN-003304 | B | R1 H · R6 H · R7 F | C14H10FN3 | 239.3 | 3.51 | 37.8 | 0 | — | designed | |
| AFN-003305 | B | R1 H · R6 H · R7 O(CH2)2-morpholino | C20H22N4O2 | 350.4 | 3.08 | 59.5 | 0 | — | designed | |
| AFN-003306 | B | R1 H · R6 H · R7 Cl | C14H10ClN3 | 255.7 | 4.03 | 37.8 | 0 | — | designed | |
| AFN-003307 | B | R1 H · R6 H · R7 OH | C14H11N3O | 237.3 | 3.08 | 58.0 | 1 | 5.53 | tested | |
| AFN-003308 | B | R1 H · R6 OMe · R7 H | C15H13N3O | 251.3 | 3.38 | 47.0 | 0 | — | designed | |
| AFN-003309 | B | R1 H · R6 OMe · R7 OMe | C16H15N3O2 | 281.3 | 3.39 | 56.3 | 0 | — | designed | |
| AFN-003310 | B | R1 H · R6 OMe · R7 OEt | C17H17N3O2 | 295.3 | 3.78 | 56.3 | 0 | — | designed | |
| AFN-003311 | B | R1 H · R6 OMe · R7 OCH2CH2OMe | C18H19N3O3 | 325.4 | 3.41 | 65.5 | 1 | 6.38 | tested | |
| AFN-003312 | B | R1 H · R6 OMe · R7 F | C15H12FN3O | 269.3 | 3.52 | 47.0 | 1 | 5.77 | tested | |
| AFN-003313 | B | R1 H · R6 OMe · R7 O(CH2)2-morpholino | C21H24N4O3 | 380.4 | 3.09 | 68.7 | 0 | — | designed | |
| AFN-003314 | B | R1 H · R6 OMe · R7 Cl | C15H12ClN3O | 285.7 | 4.04 | 47.0 | 1 | 6.18 | tested | |
| AFN-003315 | B | R1 H · R6 OMe · R7 OH | C15H13N3O2 | 267.3 | 3.09 | 67.3 | 0 | — | designed | |
| AFN-003316 | B | R1 H · R6 OEt · R7 H | C16H15N3O | 265.3 | 3.77 | 47.0 | 0 | — | designed | |
| AFN-003317 | B | R1 H · R6 OEt · R7 OMe | C17H17N3O2 | 295.3 | 3.78 | 56.3 | 0 | — | designed | |
| AFN-003318 | B | R1 H · R6 OEt · R7 OEt | C18H19N3O2 | 309.4 | 4.17 | 56.3 | 0 | — | designed | |
| AFN-003319 | B | R1 H · R6 OEt · R7 OCH2CH2OMe | C19H21N3O3 | 339.4 | 3.80 | 65.5 | 1 | 6.04 | tested | |
| AFN-003320 | B | R1 H · R6 OEt · R7 F | C16H14FN3O | 283.3 | 3.91 | 47.0 | 1 | 5.79 | tested | |
| AFN-003321 | B | R1 H · R6 OEt · R7 O(CH2)2-morpholino | C22H26N4O3 | 394.5 | 3.48 | 68.7 | 0 | — | designed | |
| AFN-003322 | B | R1 H · R6 OEt · R7 Cl | C16H14ClN3O | 299.8 | 4.43 | 47.0 | 1 | 5.86 | tested | |
| AFN-003323 | B | R1 H · R6 OEt · R7 OH | C16H15N3O2 | 281.3 | 3.48 | 67.3 | 0 | — | designed | |
| AFN-003324 | B | R1 H · R6 OCH2CH2OMe · R7 H | C17H17N3O2 | 295.3 | 3.40 | 56.3 | 1 | 5.91 | tested | |
| AFN-003325 | B | R1 H · R6 OCH2CH2OMe · R7 OMe | C18H19N3O3 | 325.4 | 3.41 | 65.5 | 0 | — | designed | |
| AFN-003326 | B | R1 H · R6 OCH2CH2OMe · R7 OEt | C19H21N3O3 | 339.4 | 3.80 | 65.5 | 0 | — | designed | |
| AFN-003327 | B | R1 H · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C20H23N3O4 | 369.4 | 3.42 | 74.7 | 0 | — | designed | |
| AFN-003328 | B | R1 H · R6 OCH2CH2OMe · R7 F | C17H16FN3O2 | 313.3 | 3.54 | 56.3 | 0 | — | designed | |
| AFN-003329 | B | R1 H · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C23H28N4O4 | 424.5 | 3.11 | 78.0 | 0 | — | designed | |
| AFN-003330 | B | R1 H · R6 OCH2CH2OMe · R7 Cl | C17H16ClN3O2 | 329.8 | 4.05 | 56.3 | 0 | — | designed | |
| AFN-003331 | B | R1 H · R6 OCH2CH2OMe · R7 OH | C17H17N3O3 | 311.3 | 3.10 | 76.5 | 0 | — | designed | |
| AFN-003332 | B | R1 H · R6 O(CH2)3-morpholino · R7 H | C21H24N4O2 | 364.4 | 3.47 | 59.5 | 1 | — | tested | |
| AFN-003333 | B | R1 H · R6 O(CH2)3-morpholino · R7 OMe | C22H26N4O3 | 394.5 | 3.48 | 68.7 | 1 | 6.18 | tested | |
| AFN-003334 | B | R1 H · R6 O(CH2)3-morpholino · R7 OEt | C23H28N4O3 | 408.5 | 3.87 | 68.7 | 0 | — | designed | |
| AFN-003335 | B | R1 H · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C24H30N4O4 | 438.5 | 3.50 | 78.0 | 0 | — | designed | |
| AFN-003336 | B | R1 H · R6 O(CH2)3-morpholino · R7 F | C21H23FN4O2 | 382.4 | 3.61 | 59.5 | 1 | 6.30 | tested | |
| AFN-003337 | B | R1 H · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C27H35N5O4 | 493.6 | 3.19 | 81.2 | 0 | — | designed | |
| AFN-003338 | B | R1 H · R6 O(CH2)3-morpholino · R7 Cl | C21H23ClN4O2 | 398.9 | 4.13 | 59.5 | 1 | 5.98 | tested | |
| AFN-003339 | B | R1 H · R6 O(CH2)3-morpholino · R7 OH | C21H24N4O3 | 380.4 | 3.18 | 79.7 | 0 | — | designed | |
| AFN-003340 | B | R1 H · R6 acrylamido · R7 H | C17H14N4O | 290.3 | 3.50 | 66.9 | 0 | — | designed | |
| AFN-003341 | B | R1 H · R6 acrylamido · R7 OMe | C18H16N4O2 | 320.4 | 3.51 | 76.1 | 0 | — | designed | |
| AFN-003342 | B | R1 H · R6 acrylamido · R7 OEt | C19H18N4O2 | 334.4 | 3.90 | 76.1 | 0 | — | designed | |
| AFN-003343 | B | R1 H · R6 acrylamido · R7 OCH2CH2OMe | C20H20N4O3 | 364.4 | 3.52 | 85.4 | 0 | — | designed | |
| AFN-003344 | B | R1 H · R6 acrylamido · R7 F | C17H13FN4O | 308.3 | 3.64 | 66.9 | 0 | — | designed | |
| AFN-003345 | B | R1 H · R6 acrylamido · R7 O(CH2)2-morpholino | C23H25N5O3 | 419.5 | 3.21 | 88.6 | 0 | — | designed | |
| AFN-003346 | B | R1 H · R6 acrylamido · R7 Cl | C17H13ClN4O | 324.8 | 4.15 | 66.9 | 0 | — | designed | |
| AFN-003347 | B | R1 H · R6 acrylamido · R7 OH | C17H14N4O2 | 306.3 | 3.20 | 87.1 | 0 | — | designed | |
| AFN-003348 | B | R1 F · R6 H · R7 H | C14H10FN3 | 239.3 | 3.51 | 37.8 | 0 | — | designed | |
| AFN-003349 | B | R1 F · R6 H · R7 OMe | C15H12FN3O | 269.3 | 3.52 | 47.0 | 1 | — | tested |
Properties calculated with RDKit offline, not at runtimeSubstructure: our own screen fingerprint, then VF2 matching — no RDKit at runtimepIC50 mut = mean of approved fits on ASY-EGFR-TM-03